diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium

C20H27N4OS+ — CID 7522370

IUPACdiethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium
SMILESCC[NH+](CC)CCCNC(=O)Cc1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C20H26N4OS/c1-3-23(4-2)12-8-11-21-19(25)13-17-15-26-20-22-18(14-24(17)20)16-9-6-5-7-10-16/h5-7,9-10,14-15H,3-4,8,11-13H2,1-2H3,(H,21,25)/p+1
InChIKeyVTSUHQVGSYRGLV-UHFFFAOYSA-O
MW371.53 g/mol
LogP2.04
Rot. Bonds9

About diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium

diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium (PubChem CID 7522370) has the molecular formula C20H27N4OS+ and a molecular weight of 371.53 g/mol. Its IUPAC name is diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium.

Molecular Properties

Compound Namediethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium
PubChem CID7522370
Molecular FormulaC20H27N4OS+
Molecular Weight371.53 g/mol
Exact Mass371.19
IUPAC Namediethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium
SMILESCC[NH+](CC)CCCNC(=O)Cc1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C20H26N4OS/c1-3-23(4-2)12-8-11-21-19(25)13-17-15-26-20-22-18(14-24(17)20)16-9-6-5-7-10-16/h5-7,9-10,14-15H,3-4,8,11-13H2,1-2H3,(H,21,25)/p+1
InChIKeyVTSUHQVGSYRGLV-UHFFFAOYSA-O
XLogP2.04
TPSA50.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522369
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide
CID 38231605
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-phenylpropyl)acetamide
CID 121038383
N-[2-(3-methylphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 53036810
2-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]ethyl-dimethylazanium
CID 7522236
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide
CID 40509284
N-[(3-methylphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 52566392
N-[[4-(methoxymethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55615165
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907
N-[3-(diethylamino)propyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509101
N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044406
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 146063334

Frequently Asked Questions

What is the IUPAC name of diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium?
The IUPAC name of diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium (CID 7522370) is diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium.
What is the SMILES notation for diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium?
The canonical SMILES for diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium is CC[NH+](CC)CCCNC(=O)Cc1csc2nc(-c3ccccc3)cn12.
What is the InChIKey of diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium?
The InChIKey is VTSUHQVGSYRGLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N4OS/c1-3-23(4-2)12-8-11-21-19(25)13-17-15-26-20-22-18(14-24(17)20)16-9-6-5-7-10-16/h5-7,9-10,14-15H,3-4,8,11-13H2,1-2H3,(H,21,25)/p+1.
What are the key properties of diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium?
diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium has a molecular weight of 371.53 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[3-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]propyl]azanium is sourced from PubChem (CID 7522370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).